4-butan-2-yloxy-N-[(3-heptoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 4-butan-2-yloxy-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-heptoxyphenyl)carbamothioyl]-4-sec-butoxy-benzamide CAS Name: 4-butan-2-yloxy-N-[(3-heptoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-butan-2-yloxy-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-heptoxyphenyl)thiocarbamoyl]-4-sec-butoxy-benzamide Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OC(C)CC

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OC(C)CC

InChI

InChI=1S/C25H34N2O3S/c1-4-6-7-8-9-17-29-23-12-10-11-21(18-23)26-25(31)27-24(28)20-13-15-22(16-14-20)30-19(3)5-2/h10-16,18-19H,4-9,17H2,1-3H3,(H2,26,27,28,31)